N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(diethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate

C167H186N26O19S — CID 159881831

IUPACN-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(diethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate
SMILESCC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC4CCCO4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCNC4CC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ccnc4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4cncn4)cc3n2C2CCC2)cc1.CCN(CC)CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(OCC3CCCO3)ccc12
InChIInChI=1S/C29H36N4O3.C28H29N5O3.2C28H32N4O3.C27H28N6O3.C27H29N3O4S/c1-5-32(6-2)16-17-35-24-14-15-25-26(19-30)28(33(27(25)18-24)23-8-7-9-23)21-10-12-22(13-11-21)31-29(34)36-20(3)4;1-19(2)36-28(34)31-21-8-6-20(7-9-21)27-25(17-29)24-11-10-23(35-15-14-32-13-12-30-18-32)16-26(24)33(27)22-4-3-5-22;1-18(2)30-28(33)31-20-10-8-19(9-11-20)27-25(16-29)24-13-12-22(35-17-23-7-4-14-34-23)15-26(24)32(27)21-5-3-6-21;1-18(2)35-28(33)31-21-8-6-19(7-9-21)27-25(17-29)24-13-12-23(34-15-14-30-20-10-11-20)16-26(24)32(27)22-4-3-5-22;1-18(2)36-27(34)31-20-8-6-19(7-9-20)26-24(15-28)23-11-10-22(35-13-12-32-17-29-16-30-32)14-25(23)33(26)21-4-3-5-21;28-16-25-24-13-10-21(34-17-22-5-2-14-33-22)15-26(24)30(20-3-1-4-20)27(25)18-6-8-19(9-7-18)29-35(31,32)23-11-12-23/h10-15,18,20,23H,5-9,16-17H2,1-4H3,(H,31,34);6-13,16,18-19,22H,3-5,14-15H2,1-2H3,(H,31,34);8-13,15,18,21,23H,3-7,14,17H2,1-2H3,(H2,30,31,33);6-9,12-13,16,18,20,22,30H,3-5,10-11,14-15H2,1-2H3,(H,31,33);6-11,14,16-18,21H,3-5,12-13H2,1-2H3,(H,31,34);6-10,13,15,20,22-23,29H,1-5,11-12,14,17H2
InChIKeyNTPSYIWIPBGYEI-UHFFFAOYSA-N
MW2893.55 g/mol
LogP35.60
Rot. Bonds50

About N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(diethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate

N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(diethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate (PubChem CID 159881831) has the molecular formula C167H186N26O19S and a molecular weight of 2893.55 g/mol. Its IUPAC name is N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(diethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound NameN-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(diethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate
PubChem CID159881831
Molecular FormulaC167H186N26O19S
Molecular Weight2893.55 g/mol
Exact Mass2891.41
IUPAC NameN-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(diethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate
SMILESCC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC4CCCO4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCNC4CC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ccnc4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4cncn4)cc3n2C2CCC2)cc1.CCN(CC)CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(OCC3CCCO3)ccc12
InChIInChI=1S/C29H36N4O3.C28H29N5O3.2C28H32N4O3.C27H28N6O3.C27H29N3O4S/c1-5-32(6-2)16-17-35-24-14-15-25-26(19-30)28(33(27(25)18-24)23-8-7-9-23)21-10-12-22(13-11-21)31-29(34)36-20(3)4;1-19(2)36-28(34)31-21-8-6-20(7-9-21)27-25(17-29)24-11-10-23(35-15-14-32-13-12-30-18-32)16-26(24)33(27)22-4-3-5-22;1-18(2)30-28(33)31-20-10-8-19(9-11-20)27-25(16-29)24-13-12-22(35-17-23-7-4-14-34-23)15-26(24)32(27)21-5-3-6-21;1-18(2)35-28(33)31-21-8-6-19(7-9-21)27-25(17-29)24-13-12-23(34-15-14-30-20-10-11-20)16-26(24)32(27)22-4-3-5-22;1-18(2)36-27(34)31-20-8-6-19(7-9-20)26-24(15-28)23-11-10-22(35-13-12-32-17-29-16-30-32)14-25(23)33(26)21-4-3-5-21;28-16-25-24-13-10-21(34-17-22-5-2-14-33-22)15-26(24)30(20-3-1-4-20)27(25)18-6-8-19(9-7-18)29-35(31,32)23-11-12-23/h10-15,18,20,23H,5-9,16-17H2,1-4H3,(H,31,34);6-13,16,18-19,22H,3-5,14-15H2,1-2H3,(H,31,34);8-13,15,18,21,23H,3-7,14,17H2,1-2H3,(H2,30,31,33);6-9,12-13,16,18,20,22,30H,3-5,10-11,14-15H2,1-2H3,(H,31,33);6-11,14,16-18,21H,3-5,12-13H2,1-2H3,(H,31,34);6-10,13,15,20,22-23,29H,1-5,11-12,14,17H2
InChIKeyNTPSYIWIPBGYEI-UHFFFAOYSA-N
XLogP35.60
TPSA550.58 Ų
H-Bond Donors8
H-Bond Acceptors38
Rotatable Bonds50
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002893.55
LogP ≤ 535.60
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(diethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate with MolForge

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Related Compounds

1-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea
CID 25052173
propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate
CID 59425046
1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea
CID 59430479
propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrrol-1-ylethoxy)indol-2-yl]phenyl]carbamate
CID 70798049
tert-butyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)-1H-inden-2-yl]phenyl]carbamate;N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]propane-2-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-[[(2R)-oxolan-2-yl]methoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-[(3S)-oxolan-3-yl]oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-[(3R)-oxolan-3-yl]oxyindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate
CID 157382844
[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate
CID 59606501
N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-2-cyclobutylacetamide;N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3-cyclopropylpropanamide;(3R)-N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3,4-dimethylpentanamide;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea
CID 162180310
propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethyl)indol-2-yl]phenyl]carbamate
CID 59425062
propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,2,4-triazol-1-ylmethyl)indol-2-yl]phenyl]carbamate
CID 59424998
1-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfonyl)indol-2-yl]phenyl]-3-propan-2-ylurea
CID 59425289
[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-propylsulfonylazanium
CID 143511116
1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethylsulfonyl]indol-2-yl]phenyl]carbamate
CID 59425404

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(diethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate?
The IUPAC name of N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(diethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate (CID 159881831) is N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(diethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate.
What is the SMILES notation for N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(diethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate?
The canonical SMILES for N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(diethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate is CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC4CCCO4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCNC4CC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ccnc4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4cncn4)cc3n2C2CCC2)cc1.CCN(CC)CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(OCC3CCCO3)ccc12.
What is the InChIKey of N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(diethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate?
The InChIKey is NTPSYIWIPBGYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O3.C28H29N5O3.2C28H32N4O3.C27H28N6O3.C27H29N3O4S/c1-5-32(6-2)16-17-35-24-14-15-25-26(19-30)28(33(27(25)18-24)23-8-7-9-23)21-10-12-22(13-11-21)31-29(34)36-20(3)4;1-19(2)36-28(34)31-21-8-6-20(7-9-21)27-25(17-29)24-11-10-23(35-15-14-32-13-12-30-18-32)16-26(24)33(27)22-4-3-5-22;1-18(2)30-28(33)31-20-10-8-19(9-11-20)27-25(16-29)24-13-12-22(35-17-23-7-4-14-34-23)15-26(24)32(27)21-5-3-6-21;1-18(2)35-28(33)31-21-8-6-19(7-9-21)27-25(17-29)24-13-12-23(34-15-14-30-20-10-11-20)16-26(24)32(27)22-4-3-5-22;1-18(2)36-27(34)31-20-8-6-19(7-9-20)26-24(15-28)23-11-10-22(35-13-12-32-17-29-16-30-32)14-25(23)33(26)21-4-3-5-21;28-16-25-24-13-10-21(34-17-22-5-2-14-33-22)15-26(24)30(20-3-1-4-20)27(25)18-6-8-19(9-7-18)29-35(31,32)23-11-12-23/h10-15,18,20,23H,5-9,16-17H2,1-4H3,(H,31,34);6-13,16,18-19,22H,3-5,14-15H2,1-2H3,(H,31,34);8-13,15,18,21,23H,3-7,14,17H2,1-2H3,(H2,30,31,33);6-9,12-13,16,18,20,22,30H,3-5,10-11,14-15H2,1-2H3,(H,31,33);6-11,14,16-18,21H,3-5,12-13H2,1-2H3,(H,31,34);6-10,13,15,20,22-23,29H,1-5,11-12,14,17H2.
What are the key properties of N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(diethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate?
N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(diethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate has a molecular weight of 2893.55 g/mol, XLogP of 35.60, 50 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(diethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 159881831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).